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Substance Name: Piperidinium, 1-(((4-carboxy-3-hydroxyphenyl)carbamoyl)methyl)-1-methyl-, iodide, methyl ester
RN: 14035-28-0
InChIKey: OXXHAWRAWUNILI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N2-O4.I

Molecular Weight

  • 434.268
 
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Names and Synonyms

Synonym

  • 1-(((4-Carboxy-3-hydroxyphenyl)carbamoyl)methyl)-1-methylpiperidinium iodide methyl ester

Systematic Name

  • Piperidinium, 1-(((4-carboxy-3-hydroxyphenyl)carbamoyl)methyl)-1-methyl-, iodide, methyl ester

Registry Numbers

CAS Registry Number

  • 14035-28-0

System Generated Number

  • 0014035280

Molecular Formulas

Molecular Formula

  • C16-H23-N2-O4.I

Molecular Formula Fragments

  • C16-H23-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H22N2O4.HI/c1-18(8-4-3-5-9-18)11-15(20)17-12-6-7-13(14(19)10-12)16(21)22-2;/h6-7,10H,3-5,8-9,11H2,1-2H3,(H-,17,19,20,21);1H

InChIKey

OXXHAWRAWUNILI-UHFFFAOYSA-N

Smiles

[IH-].[N+]1(CCCCC1)(C)CC(Nc1cc(c(cc1)C(=O)OC)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 235, 1967.